Solution structure of the zinc fingers 1 and 2 of MBNL1
MAVSVTPIRD TKWLTLEVCR EFQRGTCSRP DTECKFAHPS KSCQVENGRV IACFDSLKGR CSRENCKYLH PPPHLKTQLE INGRNNLIQQ KN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.6 % (812 of 1088) | 78.9 % (455 of 577) | 66.1 % (273 of 413) | 85.7 % (84 of 98) |
Backbone | 78.1 % (422 of 540) | 93.4 % (170 of 182) | 62.1 % (169 of 272) | 96.5 % (83 of 86) |
Sidechain | 74.1 % (471 of 636) | 72.2 % (285 of 395) | 80.8 % (185 of 229) | 8.3 % (1 of 12) |
Aromatic | 37.1 % (23 of 62) | 41.9 % (13 of 31) | 30.0 % (9 of 30) | 100.0 % (1 of 1) |
Methyl | 89.0 % (73 of 82) | 90.2 % (37 of 41) | 87.8 % (36 of 41) |
1. Muscleblind-like protein 1
MAVSVTPIRD TKWLTLEVCR EFQRGTCSRP DTECKFAHPS KSCQVENGRV IACFDSLKGR CSRENCKYLH PPPHLKTQLE INGRNNLIQQ KNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 4.7 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 4.7 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 4.7 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 4.7 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 4.7 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 4.7 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 4.7 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 4.7 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 4.7 ppm | external | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 1 and 2 of MBNL1, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Zinc fingers 1 and 2 of MBNL1 | [U-98% 13C; U-98% 15N] | 0.4 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30207_5u6h.nef |
Input source #2: Coordindates | 5u6h.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | True (see coodinates for details) |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
1:19:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:27:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:34:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:38:HIS:NE2 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:53:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:61:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:66:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:70:HIS:NE2 | 2:2:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
B | 2 | ZN | ZINC ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MAVSVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAVSVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKN
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 92 | 0 | 0 | 100.0 |
Content subtype: combined_30207_5u6h.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MAVSVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKN | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .A.SVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKN
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
22 | PHE | CG | 130.978 |
54 | PHE | CG | 131.743 |
68 | TYR | CG | 133.625 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 577 | 437 | 75.7 |
13C chemical shifts | 413 | 259 | 62.7 |
15N chemical shifts | 106 | 81 | 76.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 182 | 165 | 90.7 |
13C chemical shifts | 184 | 80 | 43.5 |
15N chemical shifts | 86 | 80 | 93.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 395 | 272 | 68.9 |
13C chemical shifts | 229 | 179 | 78.2 |
15N chemical shifts | 20 | 1 | 5.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 35 | 83.3 |
13C chemical shifts | 42 | 35 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 13 | 41.9 |
13C chemical shifts | 30 | 9 | 30.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MAVSVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKN ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | ....VTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQ.K --------10--------20--------30--------40--------50--------60--------70--------80--------90-
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MAVSVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKN |||||||||||| |||||||||| || |||||||||||||||||| |||| ||| ||||||||| ||||||| MAVSVTPIRDTK..TLEVCREFQR..CS............KSCQVENGRVIACFDSLK...SREN...LHP...LKTQLEING..NLIQQKN